Home > Compound List > Compound details
507462-90-0 molecular structure
click picture or here to close

3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

ChemBase ID: 310101
Molecular Formular: C14H21BO3
Molecular Mass: 248.12574
Monoisotopic Mass: 248.15837493
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)c1c(cc(cc1C)O)C
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1c(C)cc(cc1C)O
InChI:
InChI=1S/C14H21BO3/c1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
InChIKey:
ZCBINMYCBLXSBG-UHFFFAOYSA-N

Cite this record

CBID:310101 http://www.chembase.cn/molecule-310101.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC Traditional name
3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Synonyms
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS Number
507462-90-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4053058 external link Add to cart
Data Source Data ID Price
ChemBridge
4053058 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.550202  LogD (pH = 7.4) 4.534924 
Log P 4.5504  Molar Refractivity 67.7764 cm3
Polarizability 28.133099 Å3 Polar Surface Area 38.69 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle